4-[5-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methyl-2-phenyl-pyrrol-3-yl]pyridine

Systemtic Name: 4-[5-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methyl-2-phenyl-pyrrol-3-yl]pyridine Openeye Name: 4-[5-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methyl-2-phenyl-pyrrol-3-yl]pyridine CAS Name: 4-[5-(1,1-dimethyl-4-piperidin-1-iumyl)-1-methyl-2-phenyl-3-pyrrolyl]pyridine IUPAC Name: 4-[5-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methyl-2-phenylpyrrol-3-yl]pyridine Traditional Name: 4-[5-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methyl-2-phenyl-pyrrol-3-yl]pyridine Formula: C23H28N3+ MolecularWeight: 346.48852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=C1C2=CC=CC=C2)C3=CC=NC=C3)C4CC[N+](CC4)(C)C

Isomeric SMILES

CN1C(=CC(=C1C2=CC=CC=C2)C3=CC=NC=C3)C4CC[N+](CC4)(C)C

InChI

InChI=1S/C23H28N3/c1-25-22(19-11-15-26(2,3)16-12-19)17-21(18-9-13-24-14-10-18)23(25)20-7-5-4-6-8-20/h4-10,13-14,17,19H,11-12,15-16H2,1-3H3/q+1